2-amino-2-methylhexanenitrile

C7H14N2 — CID 21394074

IUPAC2-amino-2-methylhexanenitrile
SMILESCCCCC(C)(N)C#N
InChIInChI=1S/C7H14N2/c1-3-4-5-7(2,9)6-8/h3-5,9H2,1-2H3
InChIKeyJDXCSRCKPIXTNU-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-2-methylhexanenitrile

2-amino-2-methylhexanenitrile (PubChem CID 21394074) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-amino-2-methylhexanenitrile.

Molecular Properties

Compound Name2-amino-2-methylhexanenitrile
PubChem CID21394074
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-amino-2-methylhexanenitrile
SMILESCCCCC(C)(N)C#N
InChIInChI=1S/C7H14N2/c1-3-4-5-7(2,9)6-8/h3-5,9H2,1-2H3
InChIKeyJDXCSRCKPIXTNU-UHFFFAOYSA-N
XLogP1.42
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylhexanenitrile?
The IUPAC name of 2-amino-2-methylhexanenitrile (CID 21394074) is 2-amino-2-methylhexanenitrile.
What is the SMILES notation for 2-amino-2-methylhexanenitrile?
The canonical SMILES for 2-amino-2-methylhexanenitrile is CCCCC(C)(N)C#N.
What is the InChIKey of 2-amino-2-methylhexanenitrile?
The InChIKey is JDXCSRCKPIXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-5-7(2,9)6-8/h3-5,9H2,1-2H3.
What are the key properties of 2-amino-2-methylhexanenitrile?
2-amino-2-methylhexanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylhexanenitrile is sourced from PubChem (CID 21394074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).